CHEBI:145300 - (9Z,11E,15Z)-13-hydroperoxyoctadecatrienoic acid

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ChEBI Name (9Z,11E,15Z)-13-hydroperoxyoctadecatrienoic acid
ChEBI ID CHEBI:145300
ChEBI ASCII Name (9Z,11E,15Z)-13-hydroperoxyoctadecatrienoic acid
Definition A hydroperoxyoctadecatrienoic acid that is (9Z,11E,15Z)-octadecatrienoic acid which is substituted at position 13 by a hydroperoxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ZINC000015111010
Download Molfile XML SDF
Formula C18H30O4
Net Charge 0
Average Mass 310.434
Monoisotopic Mass 310.21441
InChI InChI=1S/C18H30O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h3,7,9,11-12,15,17,21H,2,4-6,8,10,13-14,16H2,1H3,(H,19,20)/b9-7-,11-3-,15-12+
InChIKey UYQGVDXDXBAABN-JDTPQGGVSA-N
SMILES C(\C=C/CCCCCCCC(=O)O)=C/C(C/C=C\CC)OO
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (9Z,11E,15Z)-13-hydroperoxyoctadecatrienoic acid (CHEBI:145300) is a hydroperoxyoctadecatrienoic acid (CHEBI:134615)
(9Z,11E,15Z)-13-hydroperoxyoctadecatrienoic acid (CHEBI:145300) is conjugate acid of (9Z,11E,15Z)-13-hydroperoxyoctadecatrienoate (CHEBI:144034)
Incoming (9Z,11E,15Z)-13-hydroperoxyoctadecatrienoate (CHEBI:144034) is conjugate base of (9Z,11E,15Z)-13-hydroperoxyoctadecatrienoic acid (CHEBI:145300)
IUPAC Name
(9Z,11E,15Z)-13-hydroperoxyoctadeca-9,11,15-trienoic acid
Synonym Source
13-HpOTrE LIPID MAPS
Manual Xref Database
LMFA02000110 LIPID MAPS
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Citations
Last Modified
05 November 2019